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Title: Materials Data on NbAs2 by Materials Project

Abstract

NbAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to eight As+2.50- atoms. There are a spread of Nb–As bond distances ranging from 2.68–2.76 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and three equivalent As+2.50- atoms. There are one shorter (2.48 Å) and two longer (2.87 Å) As–As bond lengths. In the second As+2.50- site, As+2.50- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-7598
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NbAs2; As-Nb
OSTI Identifier:
1291502
DOI:
10.17188/1291502

Citation Formats

The Materials Project. Materials Data on NbAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291502.
The Materials Project. Materials Data on NbAs2 by Materials Project. United States. doi:10.17188/1291502.
The Materials Project. 2020. "Materials Data on NbAs2 by Materials Project". United States. doi:10.17188/1291502. https://www.osti.gov/servlets/purl/1291502. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1291502,
title = {Materials Data on NbAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to eight As+2.50- atoms. There are a spread of Nb–As bond distances ranging from 2.68–2.76 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and three equivalent As+2.50- atoms. There are one shorter (2.48 Å) and two longer (2.87 Å) As–As bond lengths. In the second As+2.50- site, As+2.50- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.},
doi = {10.17188/1291502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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